5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine

C17H19NO5 — CID 150335544

IUPAC5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
SMILESCOCCOc1ccc(C2COc3cccc(OC)c3O2)cn1
InChIInChI=1S/C17H19NO5/c1-19-8-9-21-16-7-6-12(10-18-16)15-11-22-14-5-3-4-13(20-2)17(14)23-15/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyGQOZJKIHBGLMBH-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.63
Rot. Bonds6

About 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine

5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine (PubChem CID 150335544) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine.

Molecular Properties

Compound Name5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
PubChem CID150335544
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
SMILESCOCCOc1ccc(C2COc3cccc(OC)c3O2)cn1
InChIInChI=1S/C17H19NO5/c1-19-8-9-21-16-7-6-12(10-18-16)15-11-22-14-5-3-4-13(20-2)17(14)23-15/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyGQOZJKIHBGLMBH-UHFFFAOYSA-N
XLogP2.63
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 126483972
3-[[3-(6-ethoxy-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 137404914
3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 154037863
[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol
CID 137404979
N-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-4-nitropyridazin-3-amine
CID 137405124
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 126484097
6-(difluoromethyl)-3-[[(3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
CID 126484200
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
CID 151607040
1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol
CID 137404996
2-(2,6-dimethoxyphenoxy)-N-[[(3S)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine chloride
CID 71533073
6-(3-methoxyazetidin-1-yl)-3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 137404952
5-[6-chloro-7-(imidazol-1-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-methoxypyridine
CID 126484048

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
The IUPAC name of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine (CID 150335544) is 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine.
What is the SMILES notation for 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
The canonical SMILES for 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine is COCCOc1ccc(C2COc3cccc(OC)c3O2)cn1.
What is the InChIKey of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
The InChIKey is GQOZJKIHBGLMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-19-8-9-21-16-7-6-12(10-18-16)15-11-22-14-5-3-4-13(20-2)17(14)23-15/h3-7,10,15H,8-9,11H2,1-2H3.
What are the key properties of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine has a molecular weight of 317.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine is sourced from PubChem (CID 150335544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).